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CAS 90606-77-2 3′,6′-DIHYDRO-2’H-[2,4′]BIPYRIDINYL-1′-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 90606-77-2

3′,6′-DIHYDRO-2’H-[2,4′]BIPYRIDINYL-1′-CARBOXYLIC ACID TERT-BUTYL ESTER

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251120 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS90606-77-2
  • Purity/Analytical Methods: >99.0%
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90606-77-2 / tert-butyl 4-pyridin-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate

Standard CAS: 90606-77-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90606-77-2
Multi CAS
No
Molecular Formula
C15H20N2O2
Molecular Weight
260.330000
Exact Mass
260.152478
InChI
InChI=1S/C15H20N2O2/c1-15(2,3)19-14(18)17-10-7-12(8-11-17)13-6-4-5-9-16-13/h4-7,9H,8,10-11H2,1-3H3
InChIKey
KKKDSTYVFRNJIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
74.64
TPSA
42.43

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
1.9
Consensus LogP
2.58
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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